orbital_charges     :real:2:9,2
  0.110368527118368E+001  0.506998988240712E+000  0.506998988240712E+000
  0.506998988240712E+000  0.199589550630005E+001  0.199589550630005E+001
  0.199937673325487E+001  0.199589550630005E+001  0.199937673325487E+001
  0.170962803835083E+001  0.122641658011116E+001  0.122641658011116E+001
  0.122641658011116E+001  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,2
  0.624425857566588E-003  0.624425857566448E-003  0.624425857566484E-003
 -0.624425857566588E-003 -0.624425857566448E-003 -0.624425857566484E-003
mermin_energy       :real:0:
 -0.987064079972459E+001
end_coords          :real:2:3,2
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.256392919870219E+001  0.256392919870219E+001  0.256392919870219E+001
